THE LOSS OF MAGNETISM OF Ni3Al ALONG TETRAGONAL DEFORMATION PATH

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Authors

LEGUT Dominik ŠOB Mojmír

Year of publication 2005
Type Article in Proceedings
Conference V. pracovní setkání fyzikálních chemiků a elektrochemiků
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Faculty of Science

Citation
Field Solid matter physics and magnetism
Keywords electronic structure; magnetism; intermetallic compounds
Description The phase boundaries between ferromagnetic and non-magnetic states were determined along the tetragonal deformation path of Ni3Al in L12 structure by means of ab initio electronic structure calculations. The origin of the magnetic behavior was analyzed by Stoner criterion and local environmental analysis. The ferromagnetic ordering occurs if at least 8 atoms of nickel are present in first two coordination spheres and their mutual distance does not exceed 0.054a, where a is the lattice constant of the L12 structure
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